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[热点] 酰胺脱乙酰基 chibby 2026-02-05 刚刚
[Gaussian] [已完结]安装gaussian出现如下问题 (2/360) xsw1DQK4Z367 2016-12-28 2016-12-29 15:35:05 by xsw1DQK4Z367
[Gaussian] [已完结]有谁知道怎么利用云计算平台来运行Gaussian吗 (1/860) yywanse 2016-12-28 2016-12-28 17:54:46 by J虫虫L
[Gaussian] 【求助】怎么用gaussview确定分子的中心 (16/2836) 低调先生 2011-03-02 2016-12-28 16:12:54 by 念你想你
[Gaussian] [已完结]高斯优化使用对称性问题 (0/1055) 雪儿123 2016-12-28 2016-12-28 10:59:58 by 雪儿123
[Gaussian] [已完结]有机结构量子化学 (4/635) 张闯辉 2016-12-23 2016-12-27 08:54:10 by 张闯辉
[Gaussian] [已完结]Gaussian计算的单位问题 (1/1400) yg4018 2016-12-26 2016-12-26 22:59:30 by 7152075
[Gaussian] [已完结]攒机求助，主要做高斯计算，不玩游戏    ( 1 2 3 ) (20/1653) ironman_2 2016-12-18 2016-12-26 21:55:57 by ironman_2
[Gaussian] [已完结]求助配合物的计算 (7/1544) liujkbenben 2016-12-25 2016-12-26 11:07:28 by wbf3ng
[Gaussian] 计算 Gaussian 03已经 弄坏两台电脑了~~~~~ (46/6627) 2004600215 2012-03-27 2016-12-26 10:41:08 by yywanse
[Gaussian] [已完结]请问大家做分子结构DFT的模拟用什么软件，或者有什么教程吗？ (1/1601) 棉花糖007 2016-12-16 2016-12-24 12:06:50 by ycf0309
[Gaussian] Roos CASSCF 量子计算 (35/3087) 左手疗伤 2012-06-07 2016-12-23 18:48:01 by 能见度低
[Gaussian] [已完结]求大神教，怎么模拟化学反应的Free energies (∆G) (0/214) daifuning 2016-12-23 2016-12-23 15:35:00 by daifuning
[Gaussian] 【求助】ESP charge (1/1948) mountwar 2011-04-02 2016-12-23 11:02:56 by duoduomei
[Gaussian] [已完结]求助ONIOM出错原因，并请教解决方法    ( 1 2 ) (11/1756) alexwpch 2013-07-07 2016-12-23 07:12:32 by 会飞的鱼猫猫
[Gaussian] [已完结]用SMD计算溶剂化效应 (9/2644) wenxianliu 2012-09-22 2016-12-22 13:58:36 by 纪念品
[Gaussian] [已完结][关贴]结构优化后全部显示为双键 (5/1958) ztf3270898 2016-12-19 2016-12-21 21:57:03 by 阿房君
[Gaussian] [已完结]gaussview画对称图形 (2/1127) zhy嘿哈 2016-12-21 2016-12-21 19:27:24 by ydummry186
[Gaussian] [已完结]gaussian09 提交任务时出现the processing of the last link ended abnormally (5/5761) zhy嘿哈 2016-12-11 2016-12-21 12:45:32 by 清风凌云007
[Gaussian] [已完结]Gaussian计算到这就算不下去了，怎么回事阿？    ( 1 2 3 ) (金币≥1)(21/305) dami251 2011-05-26 2016-12-21 12:37:19 by Elaine崔崔
[Gaussian] 【求助】键长与能量 (3/613) 焱烈8128 2010-06-08 2016-12-21 09:02:24 by 清风凌云007
[Gaussian] gaussian可以指定原子进攻方向吗 (24/1402) smilenfree 2016-12-18 2016-12-20 22:52:17 by smilenfree
[Gaussian] [已完结]求助大神，结构优化怎么做 (3/540) keeglin 2016-12-20 2016-12-20 21:56:19 by keeglin
[Gaussian] [已完结]如何用高斯计算单电子转移（SET），输入命令是什么 (1/1134) 风玲儿 2016-12-19 2016-12-20 21:17:42 by 风玲儿
[Gaussian] 过渡态方面几个问题    ( 1 2 3 4 5 ) (46/2302) 就是这个FEEL 2016-04-02 2016-12-20 13:34:51 by huangjun123
[Gaussian] [已完结]如何使用testrt功能 (0/356) ra2ghgzh 2016-12-20 2016-12-20 11:18:05 by ra2ghgzh
[Gaussian] [已完结]求大神帮忙，画频率图，感谢 (0/257) 张琳娜123 2016-12-19 2016-12-19 09:19:08 by 张琳娜123
[Gaussian] [已完结]急求高斯软件，万分感谢 (2/446) 木木不呐 2016-10-07 2016-12-19 06:49:51 by 920411cyn
[Gaussian] 部分优化出现716错误 (5/1415) vigaryang 2011-07-21 2016-12-19 06:11:24 by 风玲儿
[Gaussian] [已完结]急急急！求各位大神帮助啦，小女子感激不尽呀 (5/780) 张琳娜123 2016-12-16 2016-12-18 07:20:49 by qchem
[Gaussian] [已完结]高斯软件所需的电脑配置---急    ( 1 2 ) (10/8175) kongquegege 2016-12-07 2016-12-17 20:14:01 by sumissu
[Gaussian] [已完结]做nmr的nbo分析，遇到不知情的错误 (1/545) baoyuan6969 2015-08-31 2016-12-15 19:11:42 by teller3531
[Gaussian] [已完结]关于gaussian中PBC的symmetry的对称性计算前后变化求助 (2/899) 中大煎鱼 2016-12-12 2016-12-14 22:24:25 by 中大煎鱼
[Gaussian] [已完结][关贴]一个简单的模仿过渡态反应过程出现severe error message #2070 (0/3109) xsw1DQK4Z367 2016-12-14 2016-12-14 10:12:41 by xsw1DQK4Z367
[Gaussian] [已完结]尿素脱水生成单氰胺进行动力学模拟 (0/425) liuyang092 2016-12-13 2016-12-13 15:20:46 by liuyang092
[Gaussian] [已完结]cis优化激发态出错 (0/262) 18813975250 2016-12-13 2016-12-13 08:58:55 by 18813975250
[Gaussian] [已完结]请教高斯中分子键长键角的查询 (2/6911) fengyuliang 2016-12-08 2016-12-13 08:37:58 by likun_2008
[Gaussian] [已完结]优化激发态出错 (1/512) byyd 2016-09-13 2016-12-13 05:54:44 by pqaaa0908
[Gaussian] 计算失败，求原因 (15/1186) 超越梦想0110 2016-12-09 2016-12-12 20:31:42 by paramecium86
[Gaussian] [已完结]通过熵变和通过配分函数计算指前因子 (1/1513) Agan920808 2016-12-04 2016-12-12 10:14:15 by Blue-lark
[Gaussian] [已完结]求助用Gaussion计算二苯胺和二氧化氮反应路径，这个输入文件用GaussView怎么建立？ (4/1431) asdasd953 2014-10-21 2016-12-10 13:47:01 by 潜龙升天
[Gaussian] [已完结]帮忙看一下配置运行高斯是否足够，谢谢    ( 1 2 ) (11/1338) kongquegege 2016-12-07 2016-12-10 10:59:01 by amaxzhou
[Gaussian] [已完结]毕业论文求助 (1/571) 18813975250 2016-12-09 2016-12-09 18:23:27 by 18813975250
[Gaussian] [已完结]NBO 键级计算问题 (2/1594) dlxslxxx 2016-12-07 2016-12-09 10:54:17 by dlxslxxx
[Gaussian] [已完结]求助，溶剂化之后过渡态能量偏低的问题 (2/549) bomber1010 2016-02-22 2016-12-08 13:39:18 by 王逸凡ivy
[Gaussian] [已完结]求助高斯软件内存设置问题 (7/3843) fengyuliang 2016-12-06 2016-12-08 06:28:06 by qchem
[Gaussian] [已完结]DFT计算溶剂体系中相互作用力    ( 1 2 ) (11/1927) 化工小巨人 2016-11-14 2016-12-07 23:14:11 by 化工小巨人
[Gaussian] [已完结]量化计算中离子强度如何表示 (0/510) Tonya_Tong 2016-12-07 2016-12-07 16:58:00 by Tonya_Tong
[Gaussian] 【资源】把Gaussian09使用手册扫描版djvu格式转换成pdf喽! (14/1915) wchen 2011-02-12 2016-12-07 13:04:39 by xsw1DQK4Z367
[Gaussian] 新手求指教 (2/315) 18813975250 2016-12-06 2016-12-07 11:01:39 by 18813975250
[Gaussian] [已完结]计算BDE时要做freq计算，那自由基部分需不需要在freq之前再做opt (3/542) yeahhanpei 2016-12-06 2016-12-06 16:33:13 by yeahhanpei
[Gaussian] [已完结]如何输入输入高斯列表中没有的溶液名称？ (2/542) wang小哥 2016-11-22 2016-12-05 22:30:32 by 干掉小白兔
[Gaussian] [已完结]过渡态问题 (0/236) 阳明93 2016-12-05 2016-12-05 15:28:04 by 阳明93
[Gaussian] 【求助】geom=connectivity 在什么时候需要用 (7/2648) aimonkey 2011-04-03 2016-12-05 13:50:55 by yeahhanpei
[Gaussian] [已完结][关贴]求几种物质的热力学性质 (2/326) 瘦男人 2016-11-23 2016-12-05 07:45:02 by 瘦男人
[Gaussian] [已完结]求助混合基组哪有问题 (2/598) mercury13100 2016-12-03 2016-12-04 21:10:10 by mercury13100
[Gaussian] [已完结]高斯计算BDE问题 (0/855) yeahhanpei 2016-12-04 2016-12-04 15:39:20 by yeahhanpei
[Gaussian] [已完结]请问，计算复合物（A ,B俩分子）中某一硝基N-N键的BDE,该怎么算呢 (0/473) yeahhanpei 2016-12-03 2016-12-03 18:21:25 by yeahhanpei
[Gaussian] [已完结]g09出现Link302联机 (7/994) 灵魂双舞 2016-11-30 2016-12-02 21:01:48 by qchem
[Gaussian] [专家] Truhlar老大爷搞了个程序，可以自动估算DFT级别的频率换算因子 (2/523) beefly 2016-12-01 2016-12-02 06:07:56 by qchem
[Gaussian] [已完结]binding geometry 啥意思，是不是 凝聚态物理方面的知识 (1/271) dalong1991 2016-12-01 2016-12-01 21:34:59 by dalong1991
[Gaussian] [已完结]关于高斯计算的力常数 (5/2994) liuyusuc 2011-06-14 2016-12-01 12:51:55 by yj112358
[Gaussian] [已完结]反应能垒的问题 (0/646) doublelie 2016-11-30 2016-11-30 22:56:16 by doublelie
[Gaussian] [已完结]Gaussian09计算lumo和homo轨道以及前沿电子密度的问题 (1/2431) rhythmstar 2016-11-29 2016-11-30 20:31:25 by wenchao
[Gaussian] [已完结]求助CCSDT高斯计算错误l716.exe    ( 1 2 ) (13/2125) mercury13100 2016-11-28 2016-11-30 15:47:50 by mercury13100
[Gaussian] [已完结]质子亲和势PA中氢离子能量的问题 (0/296) jlsdyac 2016-11-29 2016-11-29 22:08:35 by jlsdyac
[Gaussian] [已完结]醚化反应的过渡态 (0/308) guodianzhu 2016-11-29 2016-11-29 15:37:53 by guodianzhu
[Gaussian] [已完结]怎样用高斯在计算配合物的UV光谱时，只计算某一波长范围内的紫外光谱跃迁 (6/2605) szhshuan 2014-08-15 2016-11-29 06:21:02 by 15996269629
[Gaussian] [已完结]【求助】Gaussian错误求助：One-electron integrals ...Zero scale factor in PutShl (0/1182) hp以火之名 2016-11-28 2016-11-28 09:46:25 by hp以火之名
[Gaussian] 有没有人用WSL在Win10上实现了Linux版本G09的运行啊？ (1/785) jove1782 2016-11-08 2016-11-27 12:58:09 by jove1782
[Gaussian] [已完结]自旋多重度 (1/788) NGY聂国艳 2016-11-25 2016-11-25 14:42:33 by 极乐禅宗
[Gaussian] 【求助】这个程序后面的是什么意思 (5/946) a-b-c 2010-11-04 2016-11-25 12:31:46 by 潜龙升天
[Gaussian] [已完结]高斯并行计算出错 (2/1242) 沐春风110 2016-11-24 2016-11-25 06:11:53 by qchem
[Gaussian] 电脑使用GV图形界面卡顿 (0/529) liwei4361556 2016-11-24 2016-11-24 22:30:13 by liwei4361556
[Gaussian] [已完结]求含0到10%之间的HF泛函的DFT方法 (4/648) ly1171193313 2015-08-22 2016-11-24 11:41:42 by 最瘦二师兄
[Gaussian] 关于NH3，苯胺的优化与书上不同的问题 (26/1325) xjyuefan 2016-11-23 2016-11-24 11:17:46 by xjyuefan
[Gaussian] [已完结][关贴]如何利用高斯计算进行离子与有机物成键的动态分析 (6/968) anmin0127 2016-11-22 2016-11-24 10:58:31 by lzy02060315
[Gaussian] [已完结]【求助】优化稳定的构型，计算频率+拉曼+VCD，结果无法读取频率 (4/808) 挚爱紫金 2016-11-16 2016-11-24 07:06:20 by qchem
[Gaussian] [已完结]请问LANL2DZ +f基组的输入？ (1/526) yyuan8658 2016-11-23 2016-11-23 19:40:16 by WANG7303
[Gaussian] [已完结]求助，高斯软件。 (0/491) 灯塔美丽人生 2016-11-22 2016-11-22 23:03:14 by 灯塔美丽人生
[Gaussian] [已完结]赝氢键(pseudohydrogen bond)是怎么定义的 (2/1017) vikkihe 2013-08-16 2016-11-22 17:07:35 by 竹子当学霸
[Gaussian] [已完结]高斯题目求助 (3/771) chenmin0373 2016-11-20 2016-11-22 14:09:50 by scfslyzkf
[Gaussian] [已完结]利用高斯进行铁氰化钾的结构优化 (0/541) beyond2013 2016-11-22 2016-11-22 08:15:56 by beyond2013
[Gaussian] 高斯输入周期性矿物晶体cif文件出现异常 (6/1307) zs806750658 2016-06-21 2016-11-21 20:27:46 by 上帝的小神
[Gaussian] 高斯是用mac好还是win？    ( 1 2 ) (18/2740) 植物人的米 2015-03-04 2016-11-21 18:39:19 by pandafit
[Gaussian] s/n for g09 gv5 and linda (5/1035) hakuna 2015-02-02 2016-11-21 13:57:13 by hakuna
[Gaussian] [已完结]计算出错，求大神助攻。 (0/588) 龚驰驰驰儿 2016-11-20 2016-11-20 14:08:02 by 龚驰驰驰儿
[Gaussian] [已完结]分子构象问题 (5/919) yearnaruto 2016-11-18 2016-11-19 19:16:54 by yearnaruto
[Gaussian] [已完结]Unrecognized atomic symbol eps.关于液相优化报错的问题 (1/2427) Ashes丶 2016-11-14 2016-11-18 11:44:24 by czyzsu
[Gaussian] [已完结]GaussView做分子轨道能级图遇到问题 (6/2348) BBQY 2016-11-14 2016-11-17 19:41:25 by BBQY
[Gaussian] [已完结]求助 (4/575) Low_key 2016-01-08 2016-11-17 09:49:33 by sunke123
[Gaussian] [已完结]求教GaussView的问题 (评阅+8) (1/416) alvin_dai 2016-11-06 2016-11-17 09:42:24 by czyzsu
[Gaussian] [已完结]请问大家，图表中的信息都是怎么得到的呢？高斯小白求助。 (1/480) 小灵鱼儿 2016-11-16 2016-11-17 09:38:18 by czyzsu
[Gaussian] [已完结]请问有64位的用于Windows下的guassian09软件吗？ (6/2152) TINGLI_广 2015-12-12 2016-11-16 17:55:05 by riyuexicheng
[Gaussian] [已完结]gaussian计算晶体的荧光 (7/1799) xuniansheng 2016-11-09 2016-11-16 17:34:18 by Frank2517
[Gaussian] [已完结]B3PW91 functional(?%HF+?%xc) 中的？为多少~~~~求支援~~ (3/433) wzy302323 2016-11-13 2016-11-16 17:03:35 by xytk04
[Gaussian] 【求助】gaussview读取.chk文件的问题 (9/3304) dagonghong 2010-09-01 2016-11-16 13:07:39 by crooked17
[Gaussian] [已完结]关于高斯03计算和安装问题，求大神解答谢谢 (7/1074) lefz 2016-11-13 2016-11-16 13:02:12 by marssun
[Gaussian] [已完结]求问初始结构参数中这一段是什么意思？ (2/545) 挚爱紫金 2016-09-29 2016-11-16 11:38:33 by 挚爱紫金
[Gaussian] [已完结]TD-DFT计算紫外的疑问 (5/765) orangedp6597 2016-11-11 2016-11-15 09:08:35 by 三石草祭
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